5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(3-fluorophenyl)sulfonylpiperazino]-8-nitro-isoquinoline Formula: C19H17FN4O4S MolecularWeight: 416.426083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C19H17FN4O4S/c20-14-2-1-3-15(12-14)29(27,28)23-10-8-22(9-11-23)18-4-5-19(24(25)26)17-13-21-7-6-16(17)18/h1-7,12-13H,8-11H2